List Systems
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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
431896 |
135172017 |
1 |
SF3O4N5C26H36 |
AB3C4D5E26F36 |
-287.53 |
5.62 |
-8.96 |
-1.2 |
0 |
|
|
431897 |
135172018 |
1 |
SF3O4N5C26H36 |
AB3C4D5E26F36 |
-287.64 |
5.37 |
-8.95 |
-1.17 |
0 |
|
|
431898 |
135172019 |
1 |
O3N5C25H33 |
A3B5C25D33 |
-57.75 |
6.06 |
-8.75 |
-1.19 |
0 |
|
|
431899 |
135172020 |
1 |
ClSO3N4C19H25 |
ABC3D4E19F25 |
-63.18 |
2.69 |
-9.4 |
-1.23 |
0 |
|
|
431900 |
135172021 |
1 |
NOC12H25 |
ABC12D25 |
-72.48 |
3.14 |
-8.43 |
2.6 |
0 |
|
|
431901 |
135172022 |
1 |
SN3O3C22H33 |
AB3C3D22E33 |
-119.48 |
5.28 |
-8.5 |
-0.68 |
0 |
|
|
431902 |
135172023 |
1 |
ClN3O3C25H34 |
AB3C3D25E34 |
-113.91 |
7.27 |
-8.51 |
-0.43 |
0 |
|
|
431903 |
135172024 |
1 |
SO2N5C20H31 |
AB2C5D20E31 |
-53.19 |
8.38 |
-8.44 |
-1.07 |
0 |
|
|
431904 |
135172025 |
1 |
ClN3O3C25H34 |
AB3C3D25E34 |
-112.94 |
3.49 |
-8.49 |
-0.45 |
0 |
|
|
431905 |
135172026 |
1 |
N3O4C23H37 |
A3B4C23D37 |
-186.15 |
2.87 |
-8.24 |
0.28 |
0 |
|
|
431906 |
135172027 |
2 |
ON2C14H19 |
AB2C14D19 |
-54.92 |
7.73 |
-8.51 |
-0.87 |
0 |
|
|
431907 |
135172028 |
1 |
O3N5C26H41 |
A3B5C26D41 |
-105.58 |
2.62 |
-8.4 |
0.08 |
0 |
|
|
431908 |
135172029 |
1 |
O2N4C27H36 |
A2B4C27D36 |
-48.03 |
8.69 |
-8.37 |
-0.71 |
0 |
|
|
431909 |
135172030 |
1 |
N4O4C27H32 |
A4B4C27D32 |
-111.7 |
6.63 |
-8.38 |
-0.44 |
0 |
|
|
431910 |
135172031 |
1 |
N3O4C29H41 |
A3B4C29D41 |
-182.46 |
4.72 |
-8.3 |
-0.37 |
0 |
|
|
431911 |
135172036 |
1 |
O4N5C26H27 |
A4B5C26D27 |
-39.77 |
1.95 |
-8.74 |
-1.37 |
0 |
|
|
431912 |
135172037 |
1 |
ClFN3O3C24H31 |
ABC3D3E24F31 |
-156.24 |
5.03 |
-8.43 |
-0.55 |
0 |
|
|
431913 |
135172040 |
1 |
N3O5C27H31 |
A3B5C27D31 |
-148.06 |
7.72 |
-8.54 |
-0.56 |
0 |
|
|
431914 |
135172041 |
1 |
N3O6C22H27 |
A3B6C22D27 |
-219.86 |
3.5 |
-8.63 |
-0.59 |
0 |
|
|
431915 |
135172042 |
1 |
N2O5C24H24 |
A2B5C24D24 |
-138.31 |
4.87 |
-8.66 |
-0.82 |
0 |
|
|
431916 |
135172043 |
1 |
PN3O8C25H36 |
AB3C8D25E36 |
-367.52 |
6.3 |
-8.91 |
-0.69 |
0 |
|
|
431917 |
135172044 |
1 |
SF3O3N4C25H27 |
AB3C3D4E25F27 |
-202.18 |
3.36 |
-9.22 |
-1.33 |
0 |
|
|
431918 |
135172045 |
1 |
N2O3C23H30 |
A2B3C23D30 |
-100.81 |
1.51 |
-8.42 |
-0.39 |
0 |
|
|
431919 |
135172046 |
1 |
SF3O3N4C25H37 |
AB3C3D4E25F37 |
-263.12 |
7.57 |
-8.88 |
-1.12 |
0 |
|
|
431920 |
135172047 |
1 |
S2F3N4O5C25H37 |
A2B3C4D5E25F37 |
-351.23 |
10.55 |
-8.5 |
-0.63 |
0 |
|
|
431921 |
135172048 |
1 |
PN3O6C25H32 |
AB3C6D25E32 |
-278.48 |
7.09 |
-8.94 |
-0.63 |
0 |
|
|
431922 |
135172049 |
1 |
PN4O7C25H31 |
AB4C7D25E31 |
-310.5 |
5.9 |
-8.68 |
-1.18 |
0 |
|
|
431923 |
135172050 |
1 |
PN2O6C27H35 |
AB2C6D27E35 |
-291.24 |
8.39 |
-8.28 |
-0.5 |
0 |
|
|
431924 |
135172051 |
1 |
PN3O6C26H30 |
AB3C6D26E30 |
-212.0 |
6.47 |
-8.85 |
-1.15 |
0 |
|
|
431925 |
135172052 |
1 |
PN2O8C28H37 |
AB2C8D28E37 |
-392.46 |
2.07 |
-8.49 |
-0.34 |
0 |
|
|
431926 |
135172053 |
1 |
SF3O3N4C24H35 |
AB3C3D4E24F35 |
-273.04 |
10.9 |
-8.76 |
-0.69 |
0 |
|
|
431927 |
135172054 |
1 |
SF3O3N4C24H35 |
AB3C3D4E24F35 |
-263.7 |
6.91 |
-8.88 |
-1.29 |
0 |
|
|
431928 |
135172055 |
1 |
ClSO2N4C22H33 |
ABC2D4E22F33 |
-66.54 |
7.62 |
-8.74 |
-0.91 |
0 |
|
|
431929 |
135172056 |
1 |
SO2C7H12 |
AB2C7D12 |
-82.12 |
4.89 |
-8.69 |
0.59 |
0 |
|
|
431930 |
135172057 |
1 |
N3O4C26H37 |
A3B4C26D37 |
-150.89 |
4.35 |
-8.49 |
-0.42 |
0 |
|
|
431931 |
135172058 |
1 |
SO3N4C24H34 |
AB3C4D24E34 |
-71.5 |
6.31 |
-8.81 |
-1.01 |
0 |
|
|
431932 |
135172059 |
1 |
N2O5C19H30 |
A2B5C19D30 |
-151.65 |
3.63 |
-8.62 |
-0.93 |
0 |
|
|
431933 |
135172060 |
1 |
SO2N3C29H39 |
AB2C3D29E39 |
-64.37 |
6.16 |
-8.56 |
-0.43 |
0 |
|
|
431934 |
135172061 |
1 |
SO2N3C29H39 |
AB2C3D29E39 |
-64.15 |
2.9 |
-8.84 |
-0.49 |
0 |
|
|
431935 |
135172062 |
1 |
O2N5C26H39 |
A2B5C26D39 |
-67.03 |
7.1 |
-8.2 |
0.11 |
0 |
|
|
431936 |
135172063 |
1 |
N3O3C24H37 |
A3B3C24D37 |
-133.35 |
3.86 |
-8.43 |
-0.04 |
0 |
|
|
431937 |
135172064 |
1 |
SO2N4C21H32 |
AB2C4D21E32 |
-64.15 |
8.54 |
-8.61 |
-0.93 |
0 |
|
|
431938 |
135172065 |
1 |
SO2N3C29H39 |
AB2C3D29E39 |
-61.15 |
6.68 |
-8.12 |
-0.42 |
0 |
|
|
431939 |
135172066 |
1 |
N2O2C27H44 |
A2B2C27D44 |
-136.46 |
5.75 |
-7.99 |
0.35 |
0 |
|
|
431940 |
135172067 |
1 |
N2O3C24H40 |
A2B3C24D40 |
-171.83 |
6.07 |
-8.17 |
0.24 |
0 |
|
|
431941 |
135172068 |
1 |
SO3N5C22H33 |
AB3C5D22E33 |
-103.21 |
7.2 |
-8.21 |
-0.33 |
0 |
|
|
431942 |
135172069 |
1 |
O2N3C25H41 |
A2B3C25D41 |
-105.47 |
3.56 |
-8.06 |
0.12 |
0 |
|
|
431943 |
135172070 |
1 |
O2N5C26H35 |
A2B5C26D35 |
-28.83 |
6.54 |
-8.46 |
-0.89 |
0 |
|
|
431944 |
135172071 |
1 |
O3N4C21H36 |
A3B4C21D36 |
-105.99 |
5.47 |
-8.45 |
0.04 |
0 |
|
|
431945 |
135172072 |
2 |
NO2C11H16 |
AB2C11D16 |
-96.75 |
4.97 |
-8.94 |
-1.33 |
0 |
|
|
431946 |
135172073 |
1 |
SO2C7H12 |
AB2C7D12 |
-112.75 |
3.51 |
-9.6 |
-0.12 |
0 |
|
|
431947 |
135172074 |
1 |
NC10H21 |
AB10C21 |
-27.94 |
2.22 |
-8.29 |
1.58 |
0 |
|
|
431948 |
135172075 |
1 |
OSC10H14 |
ABC10D14 |
-15.28 |
1.74 |
-8.45 |
0.05 |
0 |
|
|
431949 |
135172076 |
1 |
N2O3C22H36 |
A2B3C22D36 |
-152.61 |
2.95 |
-8.07 |
0.45 |
0 |
|
|
431950 |
135172077 |
2 |
NO2C10H16 |
AB2C10D16 |
-123.36 |
3.99 |
-8.55 |
-0.79 |
0 |
|
|
431951 |
135172079 |
1 |
SO2C12H18 |
AB2C12D18 |
-91.09 |
6.52 |
-9.15 |
-0.38 |
0 |
|
|
431952 |
135172080 |
1 |
ClO2N4C25H35 |
AB2C4D25E35 |
-65.81 |
3.43 |
-8.53 |
-0.86 |
0 |
|
|
431953 |
135172081 |
1 |
OS2F3N5C21H30 |
AB2C3D5E21F30 |
-162.42 |
8.14 |
-8.66 |
-1.21 |
0 |
|
|
431954 |
135172082 |
1 |
SO2N3C24H35 |
AB2C3D24E35 |
-56.63 |
6.41 |
-8.4 |
-0.56 |
0 |
|
|
431955 |
135172083 |
1 |
SN2O2C22H32 |
AB2C2D22E32 |
-78.45 |
5.05 |
-8.17 |
-0.44 |
0 |
|
|
431956 |
135172084 |
2 |
NOC12H17 |
ABC12D17 |
-84.0 |
6.03 |
-8.18 |
-0.04 |
0 |
|
|
431957 |
135172085 |
1 |
O2N3C26H43 |
A2B3C26D43 |
-124.13 |
5.73 |
-8.26 |
0.07 |
0 |
|
|
431958 |
135172086 |
1 |
NOC17H33 |
ABC17D33 |
-68.49 |
2.88 |
-8.13 |
1.51 |
0 |
|
|
431959 |
135172087 |
1 |
SF3O3N4C25H35 |
AB3C3D4E25F35 |
-264.48 |
7.82 |
-9.04 |
-1.18 |
0 |
|
|
431960 |
135172088 |
1 |
NOSC7H13 |
ABCD7E13 |
-59.12 |
1.85 |
-8.86 |
0.3 |
0 |
|
|
431961 |
135172089 |
1 |
SO2F3N4C21H27 |
AB2C3D4E21F27 |
-181.8 |
11.8 |
-9.09 |
-1.35 |
0 |
|
|
431962 |
135172090 |
1 |
N3O3C26H31 |
A3B3C26D31 |
-57.72 |
6.36 |
-8.64 |
-1.02 |
0 |
|
|
431963 |
135172091 |
1 |
ClO3N5C23H34 |
AB3C5D23E34 |
-92.34 |
5.4 |
-8.46 |
-0.27 |
0 |
|
|
431964 |
135172092 |
1 |
SO2N3C23H35 |
AB2C3D23E35 |
-89.8 |
5.35 |
-8.49 |
-0.48 |
0 |
|
|
431965 |
135172093 |
1 |
O2F3N3C26H34 |
A2B3C3D26E34 |
-235.66 |
9.49 |
-8.57 |
-0.89 |
0 |
|
|
431966 |
135172094 |
1 |
O3N4C27H36 |
A3B4C27D36 |
-89.04 |
8.33 |
-8.54 |
-0.33 |
0 |
|
|
431967 |
135172095 |
1 |
O3N5C27H31 |
A3B5C27D31 |
-26.4 |
4.16 |
-8.76 |
-0.96 |
0 |
|
|
431968 |
135172096 |
1 |
O2N3C24H39 |
A2B3C24D39 |
-114.06 |
6.38 |
-8.26 |
0.2 |
0 |
|
|
431969 |
135172097 |
1 |
SN3O3C26H39 |
AB3C3D26E39 |
-131.17 |
5.93 |
-8.48 |
-0.59 |
0 |
|
|
431970 |
135172098 |
2 |
NO2C5H8 |
AB2C5D8 |
-43.26 |
1.15 |
-9.0 |
-1.22 |
0 |
|
|
431971 |
135172099 |
1 |
ClO2N4C24H33 |
AB2C4D24E33 |
-65.93 |
8.62 |
-8.51 |
-0.95 |
0 |
|
|
431972 |
135172100 |
1 |
N3O3C24H35 |
A3B3C24D35 |
-124.34 |
4.69 |
-8.6 |
-0.55 |
0 |
|
|
431973 |
135172101 |
1 |
SO3N5C22H33 |
AB3C5D22E33 |
-110.41 |
3.11 |
-8.57 |
-0.54 |
0 |
|
|
431974 |
135172102 |
1 |
SO2N4C20H30 |
AB2C4D20E30 |
-50.36 |
3.9 |
-8.94 |
-0.9 |
0 |
|
|
431975 |
135172103 |
1 |
N3O3C23H37 |
A3B3C23D37 |
-160.25 |
5.21 |
-8.31 |
0.09 |
0 |
|
|
431976 |
135172104 |
1 |
ClO3N4C25H35 |
AB3C4D25E35 |
-112.56 |
4.14 |
-8.64 |
-0.79 |
0 |
|
|
431977 |
135172105 |
1 |
O3N5C26H39 |
A3B5C26D39 |
-72.44 |
4.57 |
-7.81 |
0.27 |
0 |
|
|
431978 |
135172106 |
1 |
ClO2N3C25H34 |
AB2C3D25E34 |
-76.41 |
8.86 |
-8.41 |
-0.45 |
0 |
|
|
431979 |
135172107 |
1 |
N3O4C27H35 |
A3B4C27D35 |
-124.2 |
6.53 |
-8.65 |
-0.57 |
0 |
|
|
431980 |
135172108 |
1 |
O3N4C29H38 |
A3B4C29D38 |
-94.25 |
2.88 |
-8.97 |
-0.4 |
0 |
|
|
431981 |
135172109 |
1 |
ClSO3N4C22H31 |
ABC3D4E22F31 |
-94.78 |
7.3 |
-9.07 |
-1.01 |
0 |
|
|
431982 |
135172110 |
1 |
ClSO2N4C23H33 |
ABC2D4E23F33 |
-67.44 |
5.34 |
-8.93 |
-1.08 |
0 |
|
|
431983 |
135172111 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-21.23 |
7.14 |
-8.76 |
-0.52 |
0 |
|
|
431984 |
135172112 |
1 |
O3N4C24H36 |
A3B4C24D36 |
-125.85 |
7.71 |
-8.37 |
-0.39 |
0 |
|
|
431985 |
135172113 |
1 |
O2N6C19H30 |
A2B6C19D30 |
-21.81 |
11.71 |
-8.64 |
-0.55 |
0 |
|
|
431986 |
135172114 |
1 |
N4C21H40 |
A4B21C40 |
-27.05 |
2.32 |
-8.38 |
2.59 |
0 |
|
|
431987 |
135172115 |
1 |
ISO3C9H11 |
ABC3D9E11 |
-104.08 |
4.46 |
-9.58 |
-1.35 |
0 |
|
|
431988 |
135172116 |
2 |
N2C9H19 |
A2B9C19 |
-50.48 |
1.24 |
-8.38 |
2.58 |
0 |
|
|
431989 |
135172117 |
1 |
F3O3N5C25H36 |
A3B3C5D25E36 |
-247.99 |
1.09 |
-8.52 |
-0.67 |
0 |
|
|
431990 |
135172118 |
1 |
O2F3N5C23H32 |
A2B3C5D23E32 |
-207.63 |
5.07 |
-8.64 |
-0.74 |
0 |
|
|
431991 |
135172119 |
1 |
O3N4C31H36 |
A3B4C31D36 |
-55.26 |
5.53 |
-8.04 |
-0.76 |
0 |
|
|
431992 |
135172120 |
1 |
SO2N4C26H32 |
AB2C4D26E32 |
-5.04 |
5.63 |
-8.68 |
-0.69 |
0 |
|
|
431993 |
135172121 |
1 |
O3N4C29H32 |
A3B4C29D32 |
-36.24 |
1.89 |
-8.72 |
-1.07 |
0 |
|
|
431994 |
135172122 |
1 |
O3N4C29H32 |
A3B4C29D32 |
-35.29 |
4.21 |
-8.5 |
-1.25 |
0 |
|
|
431995 |
135172123 |
1 |
N3O9C45H47 |
A3B9C45D47 |
-253.67 |
4.15 |
-8.53 |
-0.61 |
0 |